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DocumentationIdentifier: MM343590
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM343590 |
| SMILES |
C#CC(CO)N=CN(C)C
|
| InChIKey |
LVOTUADFGUMAMP-UHFFFAOYSA-N
|
| MW [Da] |
140.19
Automatically obtained from RDkit software. |
| LogP |
-0.43
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM57835
Similarity: 0.6855
Similarity to MM57835
| Tanimoto metric | 0.6855 |
|---|---|
| Cosine metric | 0.815 |
| Dice metric | 0.8134 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM145513
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| Tanimoto metric | 0.6837 |
|---|---|
| Cosine metric | 0.8268 |
| Dice metric | 0.8121 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM228370
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Similarity to MM228370
| Tanimoto metric | 0.6053 |
|---|---|
| Cosine metric | 0.756 |
| Dice metric | 0.7541 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+85 more
